ethyl 4-[2-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2-chloro-5-morpholinosulfonyl-benzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(2-chloro-5-morpholinosulfonyl-benzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25ClN2O8S MolecularWeight: 512.9605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C)C

InChI

InChI=1S/C22H25ClN2O8S/c1-4-32-22(28)20-14(3)24-13(2)19(20)18(26)12-33-21(27)16-11-15(5-6-17(16)23)34(29,30)25-7-9-31-10-8-25/h5-6,11,24H,4,7-10,12H2,1-3H3